| SpectraBase Compound ID | 8Imj93HUw5G |
|---|---|
| InChI | InChI=1S/C16H20N2O5S/c1-10(19)15(16(20)21)17-24(22,23)14-9-5-6-11-12(14)7-4-8-13(11)18(2)3/h4-10,15,17,19H,1-3H3,(H,20,21) |
| InChIKey | FKKZRYVWMJRWNI-UHFFFAOYSA-N |
| Mol Weight | 352.41 g/mol |
| Molecular Formula | C16H20N2O5S |
| Exact Mass | 352.109293 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4U6LpWw1gwe |
|---|---|
| Name | Dansyl-dl-threonine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 352.109292921 u |
| Formula | C16H20N2O5S |
| InChI | InChI=1S/C16H20N2O5S/c1-10(19)15(16(20)21)17-24(22,23)14-9-5-6-11-12(14)7-4-8-13(11)18(2)3/h4-10,15,17,19H,1-3H3,(H,20,21) |
| InChIKey | FKKZRYVWMJRWNI-UHFFFAOYSA-N |
| Molecular Weight | 352.405 g/mol |
| SMILES | C1(=CC=CC2=C1C=CC=C2S(=O)(=O)NC(C(=O)O)C(C)O)N(C)C |